SCHEMBL1491141

SCHEMBL1491141

CCOC(=O)C(C(=O)OCC)c1cccc(C)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.53
ALDH1A1 P00352 2/20 0.45
TP53 P04637 1/20 0.45
TDP1 Q9NUW8 3/20 0.44
KDM4E B2RXH2 1/20 0.44
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.44
ACP3 P15309 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA9 Q16790 2/20 0.42
CA7 P43166 1/20 0.42
CA14 Q9ULX7 1/20 0.42
PIN1 Q13526 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HPGD P15428 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12707192 0.87 KMT2A (0.48) MMP8ALDH1A1ACP3
SCHEMBL2511176 0.86 MMP8 (0.44) MMP8ALDH1A1TP53TDP1KDM4E
SCHEMBL9136495 0.84 MMP8 (0.44) MMP8ALDH1A1TP53TDP1KDM4E
SCHEMBL4210524 0.84 PTGS1 (0.45) MMP8ALDH1A1TP53TDP1KDM4E
SCHEMBL290364 0.83 MMP8 (0.54) MMP8ALDH1A1KDM4EMAPTL3MBTL1
SCHEMBL20346320 0.83 MMP8 (0.50) MMP8ALDH1A1TDP1L3MBTL1CA12
SCHEMBL9138377 0.83 ALDH1A1 (0.43) MMP8ALDH1A1TP53TDP1KDM4E
SCHEMBL29824513 0.83 MMP8 (0.54) MMP8ALDH1A1KDM4EMAPTL3MBTL1
SCHEMBL6367101 0.83 ALDH1A1 (0.43) MMP8ALDH1A1TP53TDP1KDM4E
SCHEMBL9052329 0.83 MMP8 (0.50) MMP8ALDH1A1MAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 51 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3564208-B1 METHOD FOR PREPARING 2-(CYCLOHEXENYLENE) MALONIC ACID DERIVATIVE AND USE THEREOF ORIENTAL LUZHOU AGROCHEMICALS CO LTD (CN) 2021-11-10 EP disclosed
CN-108264463-B Method for preparing 2-aryl malonic acid derivative and application thereof 浙江省诸暨合力化学对外贸易有限公司 2021-04-09 CN disclosed
US-10836777-B2 Method for preparing 2-(cyclohexenylidene) malonic acid derivatives and uses thereof ORIENTAL(LUZHOU) AGROCHEMICALS. CO., LTD (CN) 2020-11-17 US disclosed
CN-108264469-B Method for preparing 2- (cyclohexenylene) malonic acid derivative and application thereof 泸州东方农化有限公司 2020-07-10 CN disclosed
CN-107531700-B Mesoionic compounds 日本化药株式会社 2020-03-03 CN disclosed
EP-3564208-A1 METHOD FOR PREPARING 2-(CYCLOHEXENYLENE) MALONIC ACID DERIVATIVE AND USE THEREOF Oriental (Luzhou) Agrochemicals. Co., Ltd. (CN) 2019-11-06 EP disclosed
US-20190292200-A1 METHOD FOR PREPARING 2-(CYCLOHEXENYLIDENE) MALONIC ACID DERIVATIVES AND USES THEREOF ORIENTAL(LUZHOU) AGROCHEMICALS. CO., LTD. (CN) 2019-09-26 US disclosed
EP-3287457-B1 MESOIONIC COMPOUND NIPPON KAYAKU KK (JP) 2019-09-18 EP disclosed
US-20180310564-A1 Mesoionic Compound NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2018-11-01 US disclosed
EP-3287457-A1 MESOIONIC COMPOUND Nippon Kayaku Kabushiki Kaisha (JP) 2018-02-28 EP disclosed
WO-2009143183-A1 PYRIMIDINE NON-CLASSICAL CANNABINOID COMPOUNDS AND RELATED METHODS OF USE UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION, THE (US) 2009-11-26 WO disclosed
WO-2009143180-A1 PYRIDINE NON-CLASSICAL CANNABINOID COMPOUNDS AND RELATED METHODS OF USE UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION THE (US) 2009-11-26 WO disclosed
WO-2009143180-A1 PYRIDINE NON-CLASSICAL CANNABINOID COMPOUNDS AND RELATED METHODS OF USE UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION THE (US) 2009-11-26 WO disclosed
US-20090286818-A1 Pyridine Non-Classical Cannabinoid Compounds and Related Methods of Use THE UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION 2009-11-19 US disclosed
US-20090286818-A1 Pyridine Non-Classical Cannabinoid Compounds and Related Methods of Use THE UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION 2009-11-19 US disclosed
US-20090286818-A1 Pyridine Non-Classical Cannabinoid Compounds and Related Methods of Use THE UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION 2009-11-19 US disclosed
US-20090286810-A1 Pyrimidine Non-Classical Cannabinoid Compounds and Related Methods of Use THE UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION 2009-11-19 US disclosed
US-20090286810-A1 Pyrimidine Non-Classical Cannabinoid Compounds and Related Methods of Use THE UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION 2009-11-19 US disclosed
CN-100432070-C Novel sulfamides and their use as endothelin receptor antagonists ACTELION PHARMACEUTICALS LTD (CH) 2008-11-12 CN disclosed
CN-1524079-A Novel sulfonamides and their use as endothelin receptor antagonists ������˹ҩƷ��˾ 2004-08-25 CN disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10836777-B2 Method for preparing 2-(cyclohexenylidene) malonic acid derivatives and uses thereof ME1, HPD, PIN4 MMP8 4355/4885ALDH1A1 565/4885TP53 3257/4885
US-20090286810-A1 Pyrimidine Non-Classical Cannabinoid Compounds and Related Methods of Use CNR1, CNR2, GPR18 MMP8 4769/4885ALDH1A1 2484/4885TP53 4089/4885
US-20180310564-A1 Mesoionic Compound MTX1, METTL3, MTX2 MMP8 1567/4885ALDH1A1 2646/4885TP53 4332/4885
US-20190292200-A1 METHOD FOR PREPARING 2-(CYCLOHEXENYLIDENE) MALONIC ACID DERIVATIVES AND USES THEREOF ME1, HPD, PIN4 MMP8 4355/4885ALDH1A1 565/4885TP53 3257/4885
US-20090286818-A1 Pyridine Non-Classical Cannabinoid Compounds and Related Methods of Use CNR1, CNR2, NPY1R MMP8 4565/4885ALDH1A1 3257/4885TP53 4606/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.